2-(2,3-dimethylphenoxy)-N-methylethanamine

C11H17NO — CID 10654938

IUPAC2-(2,3-dimethylphenoxy)-N-methylethanamine
SMILESCNCCOc1cccc(C)c1C
InChIInChI=1S/C11H17NO/c1-9-5-4-6-11(10(9)2)13-8-7-12-3/h4-6,12H,7-8H2,1-3H3
InChIKeySOEQZXDZSJNKIA-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.90
Rot. Bonds4

About 2-(2,3-dimethylphenoxy)-N-methylethanamine

2-(2,3-dimethylphenoxy)-N-methylethanamine (PubChem CID 10654938) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-methylethanamine
PubChem CID10654938
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(2,3-dimethylphenoxy)-N-methylethanamine
SMILESCNCCOc1cccc(C)c1C
InChIInChI=1S/C11H17NO/c1-9-5-4-6-11(10(9)2)13-8-7-12-3/h4-6,12H,7-8H2,1-3H3
InChIKeySOEQZXDZSJNKIA-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-methylethanamine?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-methylethanamine (CID 10654938) is 2-(2,3-dimethylphenoxy)-N-methylethanamine.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-methylethanamine?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-methylethanamine is CNCCOc1cccc(C)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-methylethanamine?
The InChIKey is SOEQZXDZSJNKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-5-4-6-11(10(9)2)13-8-7-12-3/h4-6,12H,7-8H2,1-3H3.
What are the key properties of 2-(2,3-dimethylphenoxy)-N-methylethanamine?
2-(2,3-dimethylphenoxy)-N-methylethanamine has a molecular weight of 179.26 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-methylethanamine is sourced from PubChem (CID 10654938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).